SCHEMBL5773832

SCHEMBL5773832

O=C(CCc1cnoc1-c1cccc(Cl)c1)N1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ENPP2 Q13822 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM5 P41594 5/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5773845 0.86 TNKS (0.40) SMN1; SMN2ENPP2TNKSPARP1PARP2
SCHEMBL5771670 0.84 KDM5B (0.42) SMN1; SMN2ENPP2LMNANPC1RAB9A
SCHEMBL5774144 0.81 ENPP2 (0.42) SMN1; SMN2ENPP2LMNANPC1RAB9A
SCHEMBL5771554 0.81 GRIN2B (0.40) KMT2AMEN1LMNARAB9AALDH1A1
SCHEMBL5773586 0.81 MAPT (0.43) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL5773615 0.79 RXRA (0.56)
SCHEMBL5772977 0.75 VEGFA (0.43) KMT2AMEN1TP53
Trifluoroacetic Acid SCHEMBL5776129 0.72 MEN1 (0.50) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL5774842 0.71 TDO2 (0.44)
Trifluoroacetic Acid SCHEMBL5773443 0.71 LMNA (0.41) KMT2AMEN1LMNANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR SMN1; SMN2 3383/4885ENPP2 3244/4885TNKS 4694/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SMN1; SMN2 2449/4885ENPP2 3032/4885TNKS 4025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.